2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid

C11H19NO5S — CID 65441369

IUPAC2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid
SMILESCOCCNC(=O)CS(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C11H19NO5S/c1-17-5-4-12-9(13)7-18(16)8-11(2-3-11)6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyGIRFBSYMGXXZEK-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.25
Rot. Bonds9

About 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid

2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid (PubChem CID 65441369) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid
PubChem CID65441369
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid
SMILESCOCCNC(=O)CS(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C11H19NO5S/c1-17-5-4-12-9(13)7-18(16)8-11(2-3-11)6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyGIRFBSYMGXXZEK-UHFFFAOYSA-N
XLogP-0.25
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 107777762
CID 107777762
CID 65441334
CID 65441334
CID 65441367
CID 65441367
CID 65441370
CID 65441370
CID 65441379
CID 65441379
CID 65441566
CID 65441566
CID 65441568
CID 65441568
CID 65441570
CID 65441570
CID 65441695
CID 65441695
CID 65441730
CID 65441730
CID 65441736
CID 65441736
CID 65441737
CID 65441737

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid (CID 65441369) is 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid is COCCNC(=O)CS(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid?
The InChIKey is GIRFBSYMGXXZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-17-5-4-12-9(13)7-18(16)8-11(2-3-11)6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid?
2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid has a molecular weight of 277.34 g/mol, XLogP of -0.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfinylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65441369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).